3-Dimethylamino-2-(4-fluoro-phenyl)-1-pyridin-4-yl-propenone | 208936-37-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Dimethylamino-2-(4-fluoro-phenyl)-1-pyridin-4-yl-propenone
• 英文别名: 3-(Dimethylamino)-2-(4-fluorophenyl)-1-pyridin-4-ylprop-2-en-1-one
• CAS: 208936-37-2
• 化学式: C₁₆H₁₅FN₂O
• 分子量: 270.306
• InChiKey: IVCPHVGIOAHVNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Dimethylamino-2-(4-fluoro-phenyl)-1-pyridin-4-yl-propenone 在 肼 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以91%的产率得到4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
  参考文献：
  名称：

  3(5)-Heteroaryl substituted pyrazoles as p38 kinase inhibitors

  摘要：

  一类吡唑衍生物被描述用于治疗p38激酶介导的疾病。特别感兴趣的化合物由公式I定义。

  公开号：

  US06335336B1
• 作为产物：
  描述：

  1-isonicotinoyl-1H-imidazole 在 sodium chloride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.33h， 生成 3-Dimethylamino-2-(4-fluoro-phenyl)-1-pyridin-4-yl-propenone
  参考文献：
  名称：

  3-Heteroaryl-2-pyridones:  Benzodiazepine Site Ligands with Functional Selectivity for α2/α3-Subtypes of Human GABA_A Receptor-Ion Channels

  摘要：

  A novel series of 3-heteroaryl-5,6-bis(aryl)-1-methyl-2-pyridones were developed with high affinity for the benzodiazepine (BZ) binding site of human gamma-aminobutyric acid (GABA(A)) receptor ion channels, low binding selectivity for alpha2- and/or alpha3- over alpha1-containing GABA(A) receptor subtypes and high binding selectivity over alpha5 subtypes. High affinity appeared to be associated with a coplanar conformation of the pyridone and sulfur-containing 3-heteroaryl rings resulting from an attractive S...O intramolecular interaction. Functional selectivity (i.e., selective efficacy) for alpha2 and/or alpha3 GABA(A) receptor subtypes over alpha1 was observed in several of these compounds in electrophysiological assays. Furthermore, an alpha3 subtype selective inverse agonist was proconvulsant and anxiogenic in rodents while an alpha2/alpha3 subtype selective partial agonist was anticonvulsant and anxiolytic, supporting the hypothesis that subtype selective BZ site agonists may provide new anxiolytic therapies.

  DOI：

  10.1021/jm0110789

文献信息

• Macrocyclic compounds and methods of use thereof
  申请人：Synovo GmbH

  公开号：US07767797B1

  公开（公告）日：2010-08-03

  The invention features novel macrocyclic compounds, methods of making the compounds, pharmaceutical compositions including the compounds, and methods of treatment using the compounds.

  这项发明涉及新颖的大环化合物，制备这些化合物的方法，包括这些化合物的药物组合物，以及使用这些化合物进行治疗的方法。
• Macrocyclic Compounds and Methods of Use Thereof
  申请人：Gutke Hans-Jurgen

  公开号：US20110028417A1

  公开（公告）日：2011-02-03

  The invention features novel macrocyclic compounds, methods of making the compounds, pharmaceutical compositions including the compounds, and methods of treatment using the compounds.
• US7767797B1
  申请人：——

  公开号：US7767797B1

  公开（公告）日：2010-08-03
• US8461120B2
  申请人：——

  公开号：US8461120B2

  公开（公告）日：2013-06-11
• 3(5)-Heteroaryl substituted pyrazoles as p38 kinase inhibitors
  申请人：G.D. Searle & Company

  公开号：US06335336B1

  公开（公告）日：2002-01-01

  A class of pyrazole derivatives is described for use in treating p38 kinase mediated disorders. Compounds of particular interest are defined by Formula I

  一类吡唑衍生物被描述用于治疗p38激酶介导的疾病。特别感兴趣的化合物由公式I定义。